3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole

C19H24N2O2 — CID 71435080

IUPAC3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole
SMILESCc1cc(C=Cc2ccccc2OCCN2CCCCC2)on1
InChIInChI=1S/C19H24N2O2/c1-16-15-18(23-20-16)10-9-17-7-3-4-8-19(17)22-14-13-21-11-5-2-6-12-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3
InChIKeyWPDOVFMYECYRGZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.02
Rot. Bonds6

About 3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole

3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole (PubChem CID 71435080) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole
PubChem CID71435080
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole
SMILESCc1cc(C=Cc2ccccc2OCCN2CCCCC2)on1
InChIInChI=1S/C19H24N2O2/c1-16-15-18(23-20-16)10-9-17-7-3-4-8-19(17)22-14-13-21-11-5-2-6-12-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3
InChIKeyWPDOVFMYECYRGZ-UHFFFAOYSA-N
XLogP4.02
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(E)-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethenyl]-1,2-oxazole;dihydrochloride
CID 6448484
5-[2-[2-[2-(azepan-1-yl)ethoxy]phenyl]ethenyl]-3-methyl-1,2,4-oxadiazole
CID 3448170
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
2,2-dimethyl-5-[[2-(2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599807
1-(cyclopropylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
CID 12894261
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]azepane
CID 70526767
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 4147644
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole (CID 71435080) is 3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole is Cc1cc(C=Cc2ccccc2OCCN2CCCCC2)on1.
What is the InChIKey of 3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole?
The InChIKey is WPDOVFMYECYRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-16-15-18(23-20-16)10-9-17-7-3-4-8-19(17)22-14-13-21-11-5-2-6-12-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3.
What are the key properties of 3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole?
3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole has a molecular weight of 312.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[2-(2-piperidin-1-ylethoxy)phenyl]ethenyl]-1,2-oxazole is sourced from PubChem (CID 71435080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).